1-(6-methylheptyl)-1λ5-phospholane 1-oxide

C12H25OP — CID 155642530

IUPAC1-(6-methylheptyl)-1λ5-phospholane 1-oxide
SMILESCC(C)CCCCCP1(=O)CCCC1
InChIInChI=1S/C12H25OP/c1-12(2)8-4-3-5-9-14(13)10-6-7-11-14/h12H,3-11H2,1-2H3
InChIKeyYVHMUSIEOQUWMU-UHFFFAOYSA-N
MW216.30 g/mol
LogP4.36
Rot. Bonds6

About 1-(6-methylheptyl)-1λ5-phospholane 1-oxide

1-(6-methylheptyl)-1λ5-phospholane 1-oxide (PubChem CID 155642530) has the molecular formula C12H25OP and a molecular weight of 216.30 g/mol. Its IUPAC name is 1-(6-methylheptyl)-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name1-(6-methylheptyl)-1λ5-phospholane 1-oxide
PubChem CID155642530
Molecular FormulaC12H25OP
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name1-(6-methylheptyl)-1λ5-phospholane 1-oxide
SMILESCC(C)CCCCCP1(=O)CCCC1
InChIInChI=1S/C12H25OP/c1-12(2)8-4-3-5-9-14(13)10-6-7-11-14/h12H,3-11H2,1-2H3
InChIKeyYVHMUSIEOQUWMU-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptyl)-1λ5-phospholane 1-oxide?
The IUPAC name of 1-(6-methylheptyl)-1λ5-phospholane 1-oxide (CID 155642530) is 1-(6-methylheptyl)-1λ5-phospholane 1-oxide.
What is the SMILES notation for 1-(6-methylheptyl)-1λ5-phospholane 1-oxide?
The canonical SMILES for 1-(6-methylheptyl)-1λ5-phospholane 1-oxide is CC(C)CCCCCP1(=O)CCCC1.
What is the InChIKey of 1-(6-methylheptyl)-1λ5-phospholane 1-oxide?
The InChIKey is YVHMUSIEOQUWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25OP/c1-12(2)8-4-3-5-9-14(13)10-6-7-11-14/h12H,3-11H2,1-2H3.
What are the key properties of 1-(6-methylheptyl)-1λ5-phospholane 1-oxide?
1-(6-methylheptyl)-1λ5-phospholane 1-oxide has a molecular weight of 216.30 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptyl)-1λ5-phospholane 1-oxide is sourced from PubChem (CID 155642530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).